M355-0804 Screening compound: 3-isopropyl-6-{5-[(E)-2-(4-methoxyphenyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}-1,3-benzoxazol-2(3H)-one

M355-0804 Screening compound: 3-isopropyl-6-{5-[(E)-2-(4-methoxyphenyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}-1,3-benzoxazol-2(3H)-one
M355-0804 Screening compound: 3-isopropyl-6-{5-[(E)-2-(4-methoxyphenyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}-1,3-benzoxazol-2(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M355-0804
3-isopropyl-6-{5-[(E)-2-(4-methoxyphenyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}-1,3-benzoxazol-2(3H)-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M355-0804

Molecular Formula

C21H19N3O4 (C21 H19 N3 O4)

Compound Name

3-isopropyl-6-{5-[(E)-2-(4-methoxyphenyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}-1,3-benzoxazol-2(3H)-one

IUPAC name

6-{5-[(1E)-2-(4-methoxyphenyl)ethenyl]-124-oxadiazol-3-yl}-3-(propan-2-yl)-23-dihydro-13-benzoxazol-2-one

SMILES

CC(C)N(c(ccc(-c1noc(/C=C/c(cc2)ccc2OC)n1)c1)c1O1)C1=O

InChI

InChI=1S/C21H19N3O4/c1-13(2)24-17-10-7-15(12-18(17)27-21(24)25)20-22-19(28-23-20)11-6-14-4-8-16(26-3)9-5-14/h4-13H,1-3H3

InChI Key

TXTXVSWKWFACMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27538567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.185

Distribution Coefficient, logD

5.185

Water Solubility, LogSw

-5.16

Polar Surface Area

61.674

Acid Dissociation Constant (pKa)

25.55

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

References: we are preparing a list of scientific research reports with M355-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M355-0804?
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What is the minimum amount of M355-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M355-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M355-0804
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M355-0804 available by request